2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

Systemtic Name: 2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine Openeye Name: 2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine CAS Name: 2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-thieno[2,3-b]pyridinamine IUPAC Name: 2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine Traditional Name: [2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]amine Formula: C23H19F3N3S2+ MolecularWeight: 458.54227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=[NH+]1)C3=C(C4=C(S3)N=C(C=C4C(F)(F)F)C5=CC=CS5)N)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=[NH+]1)C3=C(C4=C(S3)N=C(C=C4C(F)(F)F)C5=CC=CS5)N)C

InChI

InChI=1S/C23H18F3N3S2/c1-22(2)11-12-6-3-4-7-13(12)19(29-22)20-18(27)17-14(23(24,25)26)10-15(28-21(17)31-20)16-8-5-9-30-16/h3-10H,11,27H2,1-2H3/p+1